| SpectraBase Compound ID | KyuOOLPexmO |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-10(18(11(2)19)12(3)20)7-14-8-17(24-13(4)21)16(23-6)9-15(14)22-5/h8-10H,7H2,1-6H3 |
| InChIKey | FTEAJWJWUSYABS-UHFFFAOYSA-N |
| Mol Weight | 337.37 g/mol |
| Molecular Formula | C17H23NO6 |
| Exact Mass | 337.152537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lB0zeG091W |
|---|---|
| Name | tma-2-m (o-Demethyl-) isomer-2 3ac P878 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.152537459 u |
| Formula | C17H23NO6 |
| InChI | InChI=1S/C17H23NO6/c1-10(18(11(2)19)12(3)20)7-14-8-17(24-13(4)21)16(23-6)9-15(14)22-5/h8-10H,7H2,1-6H3 |
| InChIKey | FTEAJWJWUSYABS-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | C=1(C=C(CC(N(C(C)=O)C(C)=O)C)C(=CC1OC)OC)OC(C)=O |